30186-38-0

Basic information

• Product Name: 1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
• Synonyms: 1-(4-Methylphenyl)pyrrole-2-carbaldehyde;1-P-TOLYL-1H-PYRROLE-2-CARBALDEHYDE;1-P-TOLYL-1H-PYRROLE-2-CARBOXALDEHYDE;1-(4-METHYLPHENYL)PYRROLE-2-CARBOXALDEHYDE;1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE;1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBOXALDEHYDE;BUTTPARK 33\08-17
• CAS NO: 30186-38-0
• Molecular Formula: C₁₂H₁₁NO
• Molecular Weight: 185.22
• Mol File: 30186-38-0.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 320.2 °C at 760 mmHg
• Flash Point: 147.5 °C
• Appearance: /
• Density: 1.05 g/cm³
• Vapor Pressure: 0.000322mmHg at 25°C
• Refractive Index: 1.565
• CAS DataBase Reference: 1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE(30186-38-0)
• EPA Substance Registry System: 1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE(30186-38-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• Hazardous Substances Data: 30186-38-0(Hazardous Substances Data)

Usage

General Description

1-(4-Methylphenyl)-1H-pyrrole-2-carbaldehyde is a chemical compound with a molecular formula C13H11NO. It is an aromatic aldehyde and a derivative of pyrrole, a five-membered heterocyclic organic compound. 1-(4-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE is used in the production of various pharmaceuticals and agrochemicals due to its unique chemical properties. It has a characteristic aromatic odor and is often used as a reagent in organic synthesis and as a building block for creating more complex molecules. This chemical has potential applications in the fields of medicine, agriculture, and materials science.

InChI:InChI=1/C12H11NO/c1-10-4-6-11(7-5-10)13-8-2-3-12(13)9-14/h2-9H,1H3

Upstream product

• 827-60-1 1-(4-methylphenyl)-1H-pyrrole 
• 68-12-2 N,N-dimethyl-formamide 
• 106-49-0 p-toluidine 
• 109-97-7 pyrrole 
• 98-01-1 furfural 

Downstream Products

• 1410884-63-7 N-(2-(tert-butylamino)-2-oxo-1-(1-(p-tolyl)-1H-pyrrol-2-yl)ethyl)-N-(4-methoxybenzyl)but-2-ynamide 
• 145355-18-6 1-<4-<(2-n-butyl-4,5-dicarbamoyl-1H-imidazol-1-yl)methyl>phenyl>-1H-pyrrole-2-carbonitrile 
• 144062-81-7 1-<4-<(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl>phenyl>-5-(trifluoromethyl)-1H-pyrrole-2-carbonitrile 
• 145062-01-7 methyl 1-<4-<<2-n-butyl-4-chloro-5-(hydroxymethyl)imidazolyl>methyl>phenyl>-1H-pyrrole-2-carboxylate 
• 145355-20-0 1-[4-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-phenyl]-4-nitro-1H-pyrrole-2-carbonitrile 
• 144062-77-1 1-<4-<(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl>phenyl>-3,5-dichloro-1H-pyrrole-2-carbonitrile 
• 144062-65-7 1-<4-<(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl>phenyl>-1H-pyrrole-2-carbonitrile 
• 145355-19-7 1-<4-<(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl>phenyl>-5-fluoro-1H-pyrrole-2-carbonitrile 
• 145062-02-8 methyl 1-<4-<<2-n-butyl-4-(hydroxymethyl)-5-chloroimidazolyl>methyl>phenyl>-1H-pyrrole-2-carboxylate 
• 144062-64-6 methyl 1-<4-<(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl>phenyl>-1H-pyrrole-2-carboxylate 

Relevant articles and documents

Rearrangement and cyclisation reactions on the 1-Arylpyrrol-2-iminyl-2-Aryliminopyrrol-1-yl radical energy surface

Independent generation of the iminyl (X = N) and pyrrol-1-yl (X = N) radicals by flash vacuum pyrolysis of the corresponding oxime ether and N-(dimethylamino) compound, respectively, provides two regioisomeric pyrrolo1,2-A]quinoxalines compounds. This shows that the radical species interconvert via the spirodienyl moeity at high temperatures. Corresponding generation of the pyrrol-1-yl (X = CH) radical gives the pyrrolo[1,2-A]quinoline as the only cyclised product. In this case, DFT calculations suggest that direct cyclisation of the pyrrol-1-yl takes place, rather than formation of the spirodienyl species and exclusive migration of the C-N bond.

N-SUBSTITUTED (ALPHA-IMIDAZOLYL-TOLUYL) PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS

A class of N-substituted (α-imidazolyl-toluyl)pyrrole compounds described for use in treatment of circulatory disorders. Compounds of particular interest are angiotensin II antagonists of the formula STR1 wherein m is one; wherein each of R 0 and R 1 is i

N-SUBSTITUTED N-(ALPHA-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS AND USE FOR TREATMENT OF CIRCULATORY DISORDERS

A class of N-substituted N-(α-triazolyltoluyl)pyrrole compounds described for use in treatment of circulatory disorders. Compounds of particular interest are angiotensin II antagonists of the formula STR1 wherein m is one; wherein R 1 is selected from methyl, ethyl, n-propyl, isopropyl, n-butyl, sec-butyl, isobutyl, tert-butyl, 4-methylbutyl, n-pentyl, neopentyl, phenyl, benzyl, phenethyl, cyclohexyl, cyclohexylmethyl, cyclohexylethyl, cyclohexanoyl, 1-oxo-2-cyclohexylethyl, benzoyl, 1-oxo-2-phenethyl, 1-oxopropyl, 1-oxobutyl, 1-oxopentyl and 2-hydroxybutyl; wherein R 2 is selected from methyl, ethyl, n-propyl, isopropyl, n-butyl, sec-butyl, isobutyl, tert-butyl, n-pentyl, isopentyl, neopentyl, phenyl, benzyl, phenethyl, cyclohexyl, cyclohexylmethyl, propylthio, butylthio, and hydroxyalkyl; wherein each of R 3, R 4, R 5, R 6, R 7, R 8, R 9 and R. sup.10 is independently selected from hydrido, halo, nitro, trifluoromethyl, hydroxy, alkoxy, cyano, carboxyl and methoxycarbonyl; with the proviso that at least one of R 5 and R 8 must be selected from COOH, SH, PO 3 H 2, SO 3 H, CONHNH 2, CONHNHSO 2 CF 3, OH, STR2 wherein each of R 42 and R 43 is independently selected from chloro, cyano, nitro, trifluoromethyl, methoxycarbonyl and trifluoromethylsulfonyl; or a tautomer thereof or a pharmaceutically-acceptable salt thereof. These compounds are particularly useful in treatment or control of hypertension and congestive heart failure.